2025-11-08_00000272|ligand|9S21

Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor LG023; X-ray diffraction 1.55Å
Protein #1 304 residues (96% resolved)

GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS

GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS
Non polymer #2 A1JK1

InChI=1S/C21H21N7O2S2/c1-13-6-14(2)25-21(24-13)31-12-19(29)26-20-22-10-18(32-20)8-15-4-3-5-17(7-15)30-11-16-9-23-28-27-16/h3-7,9-10H,8,11-12H2,1-2H3,(H,22,26,29)(H,23,27,28)

Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4c[nH]nn4)C
Non polymer #3 BU3

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

C[C@H]([C@@H](C)O)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference